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A simple geometrical path towards hybrid orbitals

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dc.contributor.authorNacbar, Denis Rafael
dc.contributor.authorRibeiro, Allan Victor [UNESP]
dc.contributor.authorBruno-Alfonso, Alexys [UNESP]
dc.contributor.institutionInst Fed Educ Ciencia &Tecnol Sao Paulo IFSP
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2015-11-03T15:30:01Z
dc.date.available2015-11-03T15:30:01Z
dc.date.issued2014-11-01
dc.description.abstractIt is shown that the standard sp(n) hybrid orbitals are orthogonal orbitals that minimize the total quadratic spread. This is done in a concise way that may improve the understanding of hybrid orbitals. The fact that maximally localized Wannier functions of crystalline materials may resemble hybrid orbitals is discussed.en
dc.description.affiliationInst Fed Educ Ciencia &Tecnol Sao Paulo IFSP, BR-12929600 Braganca Paulista, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat POSMAT, BR-17033360 Bauru, SP, Brazil
dc.description.affiliationInst Fed Educ Ciencia &Tecnol Sao Paulo IFSP, BR-16201407 Birigui, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat POSMAT, BR-17033360 Bauru, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.format.extent1474-1476
dc.identifierhttp://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015&lng=en&nrm=iso&tlng=en
dc.identifier.citationMaterials Research-ibero-american Journal Of Materials. Sao Carlos: Univ Fed Sao Carlos, Dept Engenharia Materials, v. 17, n. 6, p. 1474-1476, 2014.
dc.identifier.doi10.1590/1516-1439.291014
dc.identifier.fileS1516-14392014000600015.pdf
dc.identifier.issn1516-1439
dc.identifier.scieloS1516-14392014000600015
dc.identifier.urihttp://hdl.handle.net/11449/130185
dc.identifier.wosWOS:000349766900014
dc.language.isoeng
dc.publisherUniv Fed Sao Carlos, Dept Engenharia Materials
dc.relation.ispartofMaterials Research-ibero-american Journal Of Materials
dc.relation.ispartofjcr1.103
dc.relation.ispartofsjr0,398
dc.rights.accessRightsAcesso aberto
dc.sourceWeb of Science
dc.subjectHybrid orbitalsen
dc.subjectLocalizationen
dc.subjectWannier functionsen
dc.titleA simple geometrical path towards hybrid orbitalsen
dc.typeArtigo
dcterms.rightsHolderUniv Fed Sao Carlos, Dept Engenharia Materials
dspace.entity.typePublication
unesp.author.lattes1023310738730000[3]
unesp.author.orcid0000-0002-6194-529X[3]
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Ciências, Baurupt
unesp.departmentMatemática - FCpt

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